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You are searching for "CFAMM00015739" in compound.
Total 1 results found.
Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.
| CFAM Mol ID | CFAMM00015739 |
| Family | CFFAD69 u-type opioid receptor ligand opiate analog Buprenorphine Family |
| Superfamily | CFSAD66 opioid receptor ligand opiate Codeine Buprenorphine Oxymorphone Superfamily |
| Class | CFCAD66 Class 66 |
| External ID | CHEMBL54820 |
External Source | CHEMBL |
| PubChem CID |
44298093 |
Functional Category |
Bioactive |
| Molecule Name |
propyl (E)-4-[[(4aS,7R)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]amino]-4-oxobut-2-enoate |
| IUPAC Name |
propyl (E)-4-[[(4aS,7R)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]amino]-4-oxobut-2-enoate |
| Synonyms |
CHEBI:183739 |
| InChi |
InChI=1S/C27H34N2O6/c1-2-13-34-22(32)8-7-21(31)28-18-9-10-27(33)20-14-17-5-6-19(30)24-23(17)26(27,25(18)35-24)11-12-29(20)15-16-3-4-16/h5-8,16,18,20,25,30,33H,2-4,9-15H2,1H3,(H,28,31)/b8-7+/t18-,20?,25?,26?,27-/m1/s1 |
| InChiKey |
VSKUDKZDADPATC-NCQVEBNESA-N |
| Formula | C27H34N2O6 |
Molecular Weight | 482.57 |
| Cross Link | CHEMBL54820 |
| Structure |
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Statistics of CFAM Database |
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
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How to cite our database |
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C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering.
Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
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Last update by |
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2014.08.29
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Dr.
Chen Yuzong
Deputy
Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore
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